⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19115855 | 1.00 | — | — | |
| SCHEMBL19103664 | 0.91 | — | — | |
| SCHEMBL19115567 | 0.89 | — | — | |
| SCHEMBL19115714 | 0.89 | — | — | |
| SCHEMBL19103662 | 0.82 | — | — | |
| SCHEMBL19103667 | 0.82 | L3MBTL1 (0.30) | — | |
| SCHEMBL19115375 | 0.69 | L3MBTL1 (0.31) | — | |
| SCHEMBL19115377 | 0.69 | L3MBTL1 (0.31) | — | |
| SCHEMBL29226109 | 0.60 | NANP (0.58) | — | |
| SCHEMBL20173804 | 0.59 | L3MBTL1 (0.34) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170198003-A1 | DEFINED ENZYMATIC SYNTHESIS OF LIPID A ANALOGS | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2017-07-13 | — | — | US | disclosed |